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CS-W001157 4
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2-Chloro-N-(cyclohexylmethyl)acetamide

  • CAS No. 40914-11-2

  • Cat. No. CS-0145402
  • Molecule weight189.68
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-Chloro-N-(cyclohexylmethyl)acetamide|CS-0145402

Structure of 40914-11-2

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General Information

  • CAS No. 40914-11-2
  • Cat. No. CS-0145402
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆ClNO
  • Molecular Weight 189.68
  • Synonym(s) OTAVA-BB BB7020410086
  • SMILES O=C(NCC1CCCCC1)CCl

Description

2-Chloro-N-(cyclohexylmethyl)acetamide features a chloro-substituted acetyl group linked to a cyclohexylmethyl amine scaffold, delivering enhanced lipophilicity and metabolic stability. This structural motif enables efficient membrane penetration and serves as a robust building block in medicinal chemistry campaigns targeting CNS-active compounds and kinase inhibitors.

Application

2-Chloro-N-(cyclohexylmethyl)acetamide serves as a versatile acylating agent and building block in medicinal chemistry, enabling efficient incorporation of chloroacetyl functionality into target molecules. Its cyclohexylmethyl group provides steric bulk and lipophilicity beneficial for modulating compound permeability. The molecule exhibits good bench stability and facilitates straightforward purification, making it suitable for multi-step synthesis workflows requiring selective amide formation or heterocycle construction.

Synthesis

  • Route1
    • null|null
      79-04-9
    • null|null
      3218-02-8
    • ~97%
    • In-stock
      2-Chloro-N-(cyclohexylmethyl)acetamide|CS-0145402
      40914-11-2

    References

    • Cho, Su-Dong; Song, Sang-Yong; Park, Yong-Dae; Kim, Jeum-Jong; Joo, Woo-Hong; Shiro, Motoo; Falck; Shin, Dong-Soo; Yoon, Yong-Jin Tetrahedron Letters, 2003 , vol. 44, # 50 p. 8995 - 8998

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   1.9217
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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